3,7-dimethyl-1-[3-[(E)-3-phenylprop-2-enyl]sulfanylpropyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[(E)-3-phenylprop-2-enyl]sulfanylpropyl]purine-2,6-dione Openeye Name: 1-[3-[(E)-cinnamyl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[[(E)-3-phenylprop-2-enyl]thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(E)-3-phenylprop-2-enyl]sulfanylpropyl]purine-2,6-dione Traditional Name: 1-[3-[[(E)-cinnamyl]thio]propyl]-3,7-dimethyl-xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC=CC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S/c1-21-14-20-17-16(21)18(24)23(19(25)22(17)2)11-7-13-26-12-6-10-15-8-4-3-5-9-15/h3-6,8-10,14H,7,11-13H2,1-2H3/b10-6+